Glycoside
GD145789
Name:
8-[(3,3-dimethyloxiran-2-yl)methyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C27H30O11Smiles:
COc1ccc(-c2oc3c(CC4OC4(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC4OC4(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.53 | Num_heavy_atoms: | 38 |
| TPSA: | 171.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD58498
Formula: C21H20O7
Smiles:
COc1ccc(-c2oc3c(CC4OC4(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
